2-Buten-1-one, 1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-, (2Z)-

Base Information

Chemical Name:2-Buten-1-one, 1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-, (2Z)-
CAS No.:59739-63-8
Molecular Formula:C13H18O
Molecular Weight:190.285
Hs Code.:
European Community (EC) Number:630-462-4
UNII:I511R3SL51
Wikidata:Q27280453
Mol file:59739-63-8.mol

Synonyms:cis-Damascenone;(Z)-beta-Damascenone;beta-Damascenone, cis-;beta-Damascenone, (Z)-;beta-Damascenone, (2Z)-;UNII-I511R3SL51;I511R3SL51;59739-63-8;2-Buten-1-one, 1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-, (2Z)-;Z-.beta.-Damascenone;(2Z)-beta-damascenone;(Z)-.BETA.-DAMASCENONE;SCHEMBL11448674;.BETA.-DAMASCENONE, CIS-;CHEBI:192551;.BETA.-DAMASCENONE, (Z)-;.BETA.-DAMASCENONE, (2Z)-;Cis-2,6,6-trimethyl-1-crotonoyl-1,3-cyclohexadiene;Q27280453

Suppliers and Price of 2-Buten-1-one, 1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-, (2Z)-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 1 raw suppliers

Chemical Property of 2-Buten-1-one, 1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-, (2Z)-

Chemical Property:

PSA：17.07000
LogP:3.43420
XLogP3:3.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:190.135765193
Heavy Atom Count:14
Complexity:327

Purity/Quality:: 95% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC=CC(=O)C1=C(C=CCC1(C)C)C
Isomeric SMILES:C/C=C\C(=O)C1=C(C=CCC1(C)C)C

Technology Process of 2-Buten-1-one, 1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-, (2Z)-

There total 4 articles about 2-Buten-1-one, 1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-, (2Z)- which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 51.0%

: 1-(2,6,6-Trimethylcyclohexa-1,3-dienyl)but-2-en-1-ol

: 23726-93-4
Damascenon

: 59739-63-8
(Z)-1-(2',6',6'-trimethyl-1',3'-cyclohexadienyl)-2-buten-1-one

Guidance literature:: With manganese(IV) oxide; In Petroleum ether; for 3.5h;

Reference yield:

: 49815-61-4
4-(2',6',6'-trimethyl-1',3'-cyclohexadienyl)-1,6-heptadien-4-ol

: 49815-51-2
1-(2',6',6'-trimethyl-1',3'-cyclohexadienyl)-3-buten-1-one

: 23726-93-4
Damascenon

: 59739-63-8
(Z)-1-(2',6',6'-trimethyl-1',3'-cyclohexadienyl)-2-buten-1-one

: 1-(2-Allyl-2,6,6-trimethyl-cyclohex-3-enyl)-but-3-en-1-one

Guidance literature:: With potassium hydride; In N,N,N,N,N,N-hexamethylphosphoric triamide; at 25 ℃; Yield given. Yields of byproduct given;
DOI:10.1002/hlca.19870700721

Reference yield:

: 10063-97-5
methyl β-safranate

: 2622-05-1
allylmagnesium bromide

: 23726-93-4
Damascenon

: 59739-63-8
(Z)-1-(2',6',6'-trimethyl-1',3'-cyclohexadienyl)-2-buten-1-one

Guidance literature:: With n-butyllithium; toluene-4-sulfonic acid; diisopropylamine; Yield given. Multistep reaction. Title compound not separated from byproducts; 1.) hexane, THF, 0 deg C, 1 h, 5 deg C, 2 h, 2.) 20 deg C, 15 h;
DOI:10.1002/hlca.19860690127